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SYNTHESIS, SOLVATOCHROMISM, ELECTRONIC STRUCTURE AND NONLINEAR OPTIC PROPERTIES OF QUINOLIN-8-YL 2-HYDROXYBENZOATE
(Soc Chemısts Technologısts Madeconıa, 2018)
Quinolin-8-yl 2-hydroxybenzoate (QHB) was synthesized and its physical and electronic properties were investigated both experimentally and theoretically. The electronic structure and spectral behavior were determined by ...
Optoelectronic and photonic properties of pi-conjugated benzonitrile derivative bis-Schiff base by solution technique
(Elsevıer Gmbh, 2021)
In the present study, FT-IR and UV spectra of the 4,4 '-((1,4 phenylenebis(methaneylylidene))bis (azaneylylidene))dibenzonitrile denoted as, PMAD were investigated in solution phase. PMAD exhibits two absorption bands near ...
Ground state and excited state dipole moments of 6,8-diphenylimidazo[1,2-alpha]pyrazine determined from solvatochromic shifts of absorption and fluorescence spectra
(Pergamon-Elsevıer Scıence Ltd, 2011)
Electronic absorption and dual fluorescence spectra of 6,8-diphenylimidazo[1,2-alpha]pyrazine (68DIP) was recorded in various solvents with different polarity at room temperature. The ground state (mu(g)) and the excited ...
Estimation of ground and excited states dipole moments of alpha-hydroxy phenyl hydrazone derivatives: Experimental and quantum chemical methods
(Elsevıer Scıence Bv, 2014)
The ground state (mu(g)) and excited state (mu(e)) dipole moments of the studied alpha-hydroxy phenylhydrazones are determined by using solvatochromism theory which is based on the variation of Stokes shift with solvent's ...
Structural and electronic properties of cyanide-coated fullerene C-20@(CN)(n) (n=0-20): An ab initio approach
(Sprınger Heıdelberg, 2016)
Density functional theory calculations at the LDA level have been performed to investigate the geometrical structure, stabilities and electronic properties of cyanide-coated fullerene C-20@(CN)(n), with n = 0-20 in the ...
Conformational stability, the spectroscopic (FT-IR and UV), first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 6,8-diphenylimidazo[1,2-alpha]pyrazine molecule by ab initio HF and density functional methods
(Pergamon-Elsevıer Scıence Ltd, 2011)
The conformational analysis of 6,8-diphenylimidazo[1,2-alpha]pyrazine molecule (abbreviated as 68DIP) was performed by using B3LYP/6-31G(d) level of theory to find the most stable form. Two staggered stable conformers were ...
Acidity constant determination of novel drug precursor benzothiazolon derivatives including acyl and piperazine moieties
(Pergamon-Elsevıer Scıence Ltd, 2013)
In this study, protonation and deprotonation behaviors of eight new drug precursor benzothiazolon derivatives in all of acidic and basic scale (super acidic, pH, super basic regions) are analyzed by using UV-visible ...
Study on the electronic and photophysical properties of the substitute-((2-phenoxybenzylidene)amino)phenol derivatives: Synthesis, solvatochromism, electric dipole moments and DFT calculations
(Elsevıer Scıence Bv, 2017)
In this study, new substitute-((2-phenoxybenzylidene)amino)phenol derivatives were synthesized and characterized by elemental analysis, H-1 NMR,C-13 NMR and FT-IR spectra. The absorption and fluorescence spectra of the ...
Solvatochromism and intramolecular hydrogen-bonding assisted dipole moment of phenyl 1-hydroxy-2-naphthoate in the ground and excited states
(Elsevıer, 2016)
Absorption and steady state fluorescence spectra of phenyl 1-hydroxy-2-naphthoate (abbreviated as PHN) have been recorded in a series of non-polar, polar protic and polar aprotic solvents at room temperature. The pH effect ...
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